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双[1-苄基-2-(1,3-噻唑-4-基)-1H-苯并咪唑-κ(2)N(2),N(3)]二氯化钴(II)

Bis[1-benzyl-2-(1,3-thia-zol-4-yl)-1H-benzimidazole-κ(2) N (2),N (3)]dichloridocobalt(II).

作者信息

Gueddar Hicham, Bouhfid Rachid, Essassi El Mokhtar, El Brahmi Nabil, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat, Morocco ; Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l'Armée Royale, Rabat, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):m5-6. doi: 10.1107/S1600536812048751. Epub 2012 Dec 5.

Abstract

In the title compound, [CoCl2(C17H13N3S)2], the Co(II) atom exhibits a distorted octa-hedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thia-zol-4-yl)-1H-benzimidazole ligands. The two chelate rings including the Co(II) atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å; the dihedral angle between them is 74.1 (1)°. In both ligands, the thia-zole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7)°. Each pendant benzene ring is almost perpendicular to the benzimidazole mol-ecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10)°. The crystal structure is stabilized by non-classical C-H⋯Cl hydrogen bonding forming a three-dimensional network.

摘要

在标题化合物[CoCl₂(C₁₇H₁₃N₃S)₂]中,Co(II)原子呈现出扭曲的八面体配位几何构型,涉及两个氯配体,其中一个氯配体分布在两个位置上[精修的位点占有率比 = 0.847 (18):0.153 (18)],以及来自两个1-苄基-2-(1,3-噻唑-4-基)-1H-苯并咪唑配体的四个氮原子供体。包含Co(II)原子的两个螯合环基本呈平面状,与平均平面的最大偏差分别为0.080 (2) 和0.046 (2) Å;它们之间的二面角为74.1 (1)°。在两个配体中,噻唑环和苯并咪唑环几乎共平面,其平面之间的二面角分别为1.16 (8) 和6.29 (7)°。每个悬垂的苯环几乎垂直于与其相连的苯并咪唑分子;它们平面之间的二面角为75.94 (9) 和75.55 (10)°。晶体结构通过形成三维网络的非经典C-H⋯Cl氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3281/3588380/21dc9770fe61/e-69-000m5-fig1.jpg

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